2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide CAS Name: 2-[(3-chlorophenyl)methylthio]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)heptanamide Traditional Name: 2-[(3-chlorobenzyl)thio]-7-methoxy-4-methyl-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)enanthamide Formula: C26H33ClN4O2S MolecularWeight: 501.08382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC)CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(CCCOC)CC(C(=O)N(CCC1=CC=CC=C1)C2=NC=NN2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H33ClN4O2S/c1-20(8-7-15-33-2)16-24(34-18-22-11-6-12-23(27)17-22)25(32)31(26-28-19-29-30-26)14-13-21-9-4-3-5-10-21/h3-6,9-12,17,19-20,24H,7-8,13-16,18H2,1-2H3,(H,28,29,30)